Task 38681532

Name test_73-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1893_0
Workunit 31623194
Created 27 Oct 2026, 4:22:20 UTC
Sent 27 Oct 2026, 4:22:23 UTC
Report deadline 1 Nov 2026, 4:22:23 UTC
Received 27 Oct 2026, 7:48:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 51 min 24 sec
CPU time 42 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.71 MB
Peak swap size 9.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:44:42 (11416): wrapper (7.9.26016): starting
08:44:45 (11416): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
08:44:48 (11416): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:44:48 (11416): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\23\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\23\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:33:22 (11416): C:/Windows/system32/cmd.exe exited; CPU time 2556.140625
09:33:22 (11416): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 35723711 bytes.
Dumping objects ->
{3835241} normal block at 0x000001D49D53A5D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x000001D49D53AF70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001D49D53A8E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x000001D49D53A870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001D49B7FC290, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x000001D49D582AA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x000001D49D5E15F0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835151} normal block at 0x000001D49B7F71F0, 8 bytes long.
 Data: <  w&#155;&#212;   > 00 00 77 9B D4 01 00 00 
{3834544} normal block at 0x000001D49D5E0E70, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000001D49B7F7880, 8 bytes long.
 Data: <&#208;%^&#157;&#212;   > D0 25 5E 9D D4 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001D49B800CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D49B7ED880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000001D49B802840, 16 bytes long.
 Data: <&#200;A&#128;&#155;&#212;           > C8 41 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D49B801D50, 16 bytes long.
 Data: <&#160;A&#128;&#155;&#212;           > A0 41 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D49B7FD650, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000001D49B8025C0, 16 bytes long.
 Data: <xA&#128;&#155;&#212;           > 78 41 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D49B801DA0, 16 bytes long.
 Data: <PA&#128;&#155;&#212;           > 50 41 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D49B801EE0, 16 bytes long.
 Data: <(A&#128;&#155;&#212;           > 28 41 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D49B801D00, 16 bytes long.
 Data: < A&#128;&#155;&#212;           > 00 41 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D49B7FBE30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000001D49B801CB0, 16 bytes long.
 Data: <&#200;Z~&#155;&#212;           > C8 5A 7E 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D49B7FD050, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000001D49B8021B0, 16 bytes long.
 Data: <&#160;Z~&#155;&#212;           > A0 5A 7E 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D49B802340, 16 bytes long.
 Data: <xZ~&#155;&#212;           > 78 5A 7E 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D49B801C60, 16 bytes long.
 Data: <PZ~&#155;&#212;           > 50 5A 7E 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D49B801FD0, 16 bytes long.
 Data: <(Z~&#155;&#212;           > 28 5A 7E 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D49B802160, 16 bytes long.
 Data: < Z~&#155;&#212;           > 00 5A 7E 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D49B801BC0, 16 bytes long.
 Data: <&#216;Y~&#155;&#212;           > D8 59 7E 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D49B7FDD10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000001D49B801E90, 16 bytes long.
 Data: <&#176;Y~&#155;&#212;           > B0 59 7E 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D49B7E59B0, 320 bytes long.
 Data: <&#144; &#128;&#155;&#212;    &#221; &#155;&#212;   > 90 1E 80 9B D4 01 00 00 10 DD 7F 9B D4 01 00 00 
{266} normal block at 0x000001D49B802750, 16 bytes long.
 Data: <&#224;@&#128;&#155;&#212;           > E0 40 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D49B802070, 16 bytes long.
 Data: <&#184;@&#128;&#155;&#212;           > B8 40 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D49B7FD470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000001D49B801C10, 16 bytes long.
 Data: <&#144;@&#128;&#155;&#212;           > 90 40 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D49B7FD830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000001D49B802570, 16 bytes long.
 Data: <&#216;?&#128;&#155;&#212;           > D8 3F 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D49B8027F0, 16 bytes long.
 Data: <&#176;?&#128;&#155;&#212;           > B0 3F 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D49B801B20, 16 bytes long.
 Data: < ?&#128;&#155;&#212;           > 88 3F 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D49B801E40, 16 bytes long.
 Data: <`?&#128;&#155;&#212;           > 60 3F 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D49B801AD0, 16 bytes long.
 Data: <8?&#128;&#155;&#212;           > 38 3F 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D49B8028E0, 16 bytes long.
 Data: < ?&#128;&#155;&#212;           > 10 3F 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D49B802A20, 16 bytes long.
 Data: <P&#189; &#155;&#212;           > 50 BD 7F 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001D49B7FBD50, 40 bytes long.
 Data: < *&#128;&#155;&#212;   &#160;*X&#157;&#212;   > 20 2A 80 9B D4 01 00 00 A0 2A 58 9D D4 01 00 00 
{252} normal block at 0x000001D49B802980, 16 bytes long.
 Data: <&#240;>&#128;&#155;&#212;           > F0 3E 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001D49B802930, 16 bytes long.
 Data: <&#200;>&#128;&#155;&#212;           > C8 3E 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001D49B7FD3B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000001D49B801B70, 16 bytes long.
 Data: <&#160;>&#128;&#155;&#212;           > A0 3E 80 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001D49B803EA0, 992 bytes long.
 Data: <p &#128;&#155;&#212;   &#176;&#211; &#155;&#212;   > 70 1B 80 9B D4 01 00 00 B0 D3 7F 9B D4 01 00 00 
{84} normal block at 0x000001D49B7FDF50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000001D49B7F7830, 16 bytes long.
 Data: <&#208;&#192; &#155;&#212;           > D0 C0 7F 9B D4 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001D49B7FC0D0, 40 bytes long.
 Data: <0x &#155;&#212;   P&#223; &#155;&#212;   > 30 78 7F 9B D4 01 00 00 50 DF 7F 9B D4 01 00 00 
{61} normal block at 0x000001D49B7F7BA0, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D49B7F75B0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D49B7F7970, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D49B7F7560, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D49B7F78D0, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D49B7F7E70, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001D49B7F7E20, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001D49B7F7290, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001D49B7F70B0, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001D49B7F6F70, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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